- InChI
- InChI=1S/C14H20/c1-2-3-7-12-9-6-10-13-8-4-5-11-14(12)13/h6,9-10H,2-5,7-8,11H2,1H3
- InChI Key
- HLZHYZXDXDQGEB-UHFFFAOYSA-N
- Formula
- C14H20
- SMILES
- CCCCc1cccc2c1CCCC2
- Molecular Weight1
- 188.31
- CAS
- 66325-42-6
- Other Names
-
- 5-Butyl-tetralin
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4985 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -7782.00 | kJ/mol | NIST |
| ΔfusH° | 20.24 | kJ/mol | Joback Calculated Property |
| IE | 8.42 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.908 | Crippen Calculated Property | |
| McVol | 173.500 | ml/mol | McGowan Calculated Property |
| Pc | 2327.03 | kPa | Joback Calculated Property |
| Inp | [1536.00; 1536.00] |
|
|
| Inp | 1536.00 | NIST | |
| Inp | 1536.00 | NIST | |
| Tboil | [553.06; 553.06] | K |
|
| Tboil | 553.06 ± 0.30 | K | NIST |
| Tboil | 553.06 ± 0.30 | K | NIST |
| Tc | 766.09 | K | Relay (1.0) Calculated Property |
| Tfus | [224.00; 224.00] | K |
|
| Tfus | 224.00 ± 2.00 | K | NIST |
| Tfus | 224.00 ± 2.00 | K | NIST |
| Vc | 0.653 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [219.72; 591.85] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -7.64470e+01 | |||
| Coefficient B | 1.30372e+00 | |||
| Coefficient C | -8.64120e-04 | |||
| Coefficient D | 2.28700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 219.72 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 286.75 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 345.68 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 397.22 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 442.10 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 481.03 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 514.75 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 543.98 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 569.44 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 591.85 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0161791; 0.0002972] | Pa×s | [224.00; 553.07] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.08419e+01 | |||
| Coefficient B | 1.50480e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 224.00 | |||
| Temperature range, max. | 553.07 | |||
| η | 0.0161791 | Pa×s | 224.00 | Calculated Property |
| η | 0.0063032 | Pa×s | 260.56 | Calculated Property |
| η | 0.0030969 | Pa×s | 297.13 | Calculated Property |
| η | 0.0017779 | Pa×s | 333.69 | Calculated Property |
| η | 0.0011390 | Pa×s | 370.25 | Calculated Property |
| η | 0.0007905 | Pa×s | 406.81 | Calculated Property |
| η | 0.0005826 | Pa×s | 443.38 | Calculated Property |
| η | 0.0004499 | Pa×s | 479.94 | Calculated Property |
| η | 0.0003603 | Pa×s | 516.50 | Calculated Property |
| η | 0.0002972 | Pa×s | 553.07 | Calculated Property |
Similar Compounds
Find more compounds similar to Naphthalene, 5-butyl-1,2,3,4-tetrahydro-.
Sources
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